Browsing by Author "Isloor, A.M."

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1,3,4-Trisubstituted pyrazole bearing a 4-(chromen-2-one) thiazole: Synthesis, characterization and its biological studies
(Royal Society of Chemistry, 2015) Harikrishna, N.; Isloor, A.M.; Kulal, K.; AlObaid, A.; Fun, H.-K.
A new series 3-{2-[N?-(1,3-disubstituted-1H-pyrazol-4-yl-methylene)-hydrazino]-thiazol-4-yl}-chromen-2-one (10a-l) was synthesized by a multi-step reaction. All the synthesized compounds were characterized by IR, NMR, and mass spectral studies, followed by elemental analysis. The newly synthesized thiazole compounds were screened for their in vitro antibacterial and antifungal studies against various microorganisms. Antimicrobial studies carried out by the well diffusion method, showed a very good zone of inhibition for both bacteria (at a range of 20-50 mm diameter) and fungi (at a range of 10-30 mm diameter). Minimum Inhibitory Concentration (MIC) required for the 100% inhibition of bacteria and fungi was found to be as low as 15.6 ?g ml-1 for a few of the synthesized compounds. © The Royal Society of Chemistry 2015.
1,5-Dibromo-2,4-dimethoxybenzene
(2012) Vijesh, A.M.; Isloor, A.M.; Gerber, T.; Brecht, B.V.; Betz, R.
In the title compound, C8H8Br2O2, all non-H atoms lie essentially in a common plane (r.m.s deviation of all fitted non-H atoms = 0.0330 Å). In the crystal, weak C-H?O hydrogen bonds connect the molecules, forming chains which extend along the b-axis direction.
1-(4-Bromophenyl)-2-(2-chlorophenoxy)ethanone
(2012) Shenvi, S.S.; Isloor, A.M.; Gerber, T.; Hosten, E.; Betz, R.
In the title compound, C14H10BrClO2, a twofold halogenated derivative of phenylated phenyloxyethanone, the least-squares planes defined by the C atoms of the aromatic rings subtend an angle of 71.31 (17)°. In the crystal, C-H?O contacts connect the molecules into chains along the b-axis direction.
1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene
(2012) Fun, H.-K.; Arshad, S.; Ubaradka, S.R.; Shetty, P.; Isloor, A.M.
The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6)°with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6)°. The corresponding values for the other mol-ecule are 35.17 (6), 70.97 (6) and 69.62 (6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113 (8) and 3.7216 (7) Å] inter-actions link the components into a three-dimensional network.
1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate
(2012) Isloor, A.M.; Malladi, S.; Sundershan, S.; Gerber, T.; Hosten, E.; Betz, R.
In the title compound, C20H21N3O 2 H2O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed.
1-Cyclohexyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxy-lic acid
(2011) Fun, H.-K.; Ching Kheng, C.K.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
In the title compound, C17H20N2O 3, the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)°with the benzene rings of its major and minor components, respectively. The cyclohexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, molecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R 2 2(8) loops..
1-Dibromomethyl-4-methoxy-2-nitrobenzene
(2009) Fun, H.-K.; Goh, J.H.; Chandrakantha, B.; Isloor, A.M.
The asymmetric unit of the title compound, C8H 7Br2NO3, comprises two crystallographically independent molecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in molecules A and B, respectively. In each mol-ecule, the dibromo-methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter-esting features of the crystal structure is the two short Br?Br inter-actions which, together with inter-molecular C - H?O hydrogen bonds, link the molecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C - H?? inter-actions. © Fun et al. 2009.
(1Z)-1-(2,4-Dichloro-phen-yl)ethan-1-one semicarbazone
(2009) Fun, H.-K.; Balasubramani, K.; Vijesh, A.M.; Malladii, S.; Isloor, A.M.
In the title compound, C9H9Cl2N 3O, the semicarbazone group is approximately planar, with an r.m.s deviation from the mean plane of 0.011 (2) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 38.76 (9)°. The crystal structure is further stabilized by N - H?O and C - H?O hydrogen bonding. © Fun et al. 2009.
2,4-Dichlorobenzyl 2-methoxybenzoate
(2013) Isloor, A.M.; Garudachari, B.; Gerber, T.; Hosten, E.; Betz, R.
In the title compound, C15H12Cl2O 3, the aromatic rings make a dihedral angle of 10.78 (4)°. In the molecule, there is a short C-H?O contact. In the crystal, C-H?O contacts connect the molecules into C(7)C(8) chains along the b axis. The shortest intercentroid distance between two benzoic acid aromatic systems is 3.7416 (8) Å.
2,5-Bis(2,2,2-trifluoroethoxy)phenyl-tethered 1,3,4-Oxadiazoles Derivatives: Synthesis, In Silico Studies, and Biological Assessment as Potential Candidates for Anti-Cancer and Anti-Diabetic Agent
(MDPI, 2022) Shankara, S.D.; Isloor, A.M.; Kudva, A.K.; Raghu, S.V.; Jayaswamy, P.K.; Venugopal, P.P.; Shetty, P.; Chakraborty, D.
In the present work, a series of new 1-{5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-3-acetyl-2-aryl-2H/methyl derivatives were synthesized through a multistep reaction sequence. The compounds were synthesized by the condensation of various aldehydes and acetophenones with the laboratory-synthesized acid hydrazide, which afforded the Schiff’s bases. Cyclization of the Schiff bases yielded 1,3,4-oxadiazole derivatives. By spectral analysis, the structures of the newly synthesized compounds were elucidated, and further, their anti-cancer and anti-diabetic properties were investigated. To examine the dynamic behavior of the candidates at the binding site of the protein, molecular docking experiments on the synthesized compounds were performed, followed by a molecular dynamic simulation. ADMET (chemical absorption, distribution, metabolism, excretion, and toxicity) prediction revealed that most of the synthesized compounds follow Lipinski’s rule of 5. The results were further correlated with biological studies. Using a cytotoxic assay, the newly synthesized 1,3,4-Oxadiazoles were screened for their in vitro cytotoxic efficacy against the LN229 Glioblastoma cell line. From the cytotoxic assay, the compounds 5b, 5d, and 5m were taken for colony formation assay and tunnel assay have shown significant cell apoptosis by damaging the DNA of cancer cells. The in vivo studies using a genetically modified diabetic model, Drosophila melanogaster, indicated that compounds 5d and 5f have better anti-diabetic activity among the different synthesized compounds. These compounds lowered the glucose levels significantly in the tested model. © 2022 by the authors.
2,6-Dichloro-3-nitro-pyridine
(2011) Fun, H.-K.; Arshad, S.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
The asymmetric unit of the title compound, C 5H 2C l2N 2O 2, consists of two crystallographically independent mol-ecules. The pyridine ring in each mol-ecule is essentially planar, with maximum deviations of 0.004 (4) and 0.007 (4) Å. Short Cl?O [3.09 (3) and 3.13 (4) Å] and Cl?Cl [3.38 (12) Å] contacts were observed. No significant inter-molecular inter-actions were observed in the crystal packing. © Fun et al. 2011.
2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate
(2011) Fun, H.-K.; Chia, T.S.; Shenvi, S.S.; Isloor, A.M.; Garudachari, B.
In the title compound, C16H12Cl2O 4, the dihedral angle between the benzene rings is 70.11 (6)°. In the crystal, molecules are linked by C-H?O hydrogen bonds into a three-dimensional network. A C-H?? inter-action is also observed.
2-(2-Chloro-phenoxy)acetohydrazide
(2010) Fun, H.-K.; Ching Kheng, C.K.; Isloor, A.M.; Dhanya, D.; Shetty, P.
In the title compound, C8H9ClN2O 2, the acetohydrazide group is approximately planar, with the maximum deviation of 0.031 (2) Å. In the crystal, the mol-ecules are linked by N-H?N, N-H?O and C-H?O hydrogen bonds, with the acetohydrazide O atom accepting two C-H?O links and one N-H?O link. This results in infinite sheets lying parallel to (100).
2-(4-Bromo-phen-yl)-2-oxoethyl 2-meth-oxy-benzoate
(2011) Fun, H.-K.; Ching Kheng, C.K.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title mol-ecule, C 16H 13BrO 4, the dihedral angle between the benzene rings is 85.92 (10)°. In the crystal, mol-ecules are linked into chains along [100] via weak inter-molecular C - H?O hydrogen bonds. © Fun et al. 2011.
2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of the title compound, C 15H 10Br 2O 3, consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C - H?O hydrogen bonds. The crystal structure is further stabilized by C - H?? inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8). © Fun et al. 2011.
2-(4-Bromo-phen-yl)-2-oxoethyl 4-chloro-benzoate
(2011) Fun, H.-K.; Yeap, C.S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of the title compound, C 15H 10BrClO 3, consists of three crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the three mol-ecules are 68.8 (2), 0.7 (3) and 66.1 (2)°. In the crystal, the three independent mol-ecules are inter-connected by C - H?O hydrogen bonds, leading to isolated trimers. © Fun et al. 2011.
2-(4-Bromo-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate
(2011) Fun, H.-K.; Loh, W.-S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C16H13BrO4, the benzene rings are almost perpendicular to each other, making a dihedral angle of 84.07 (8)°. In the crystal, the mol-ecules are linked into chains along the a axis via inter-molecular C - H?O hydrogen bonds. A C - H?? inter-action is also observed.
2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate
(2011) Fun, H.-K.; Ooi, C.W.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C16H13BrO3, the dihedral angle formed between the bromo- and methyl-substituted benzene rings is 66.66 (8)°. In the crystal, molecules are linked by inter-molecular C - H?O hydrogen bonds, forming a two-dimensional network parallel to the ac plane. The crystal packing is further consolidated by C - H?? interactions. © Fun et al. 2011.
2-(4-Bromophenyl)-2-oxoethyl 4-hydroxybenzoate
(2011) Fun, H.-K.; Loh, W.-S.; Garudachari, B.; Isloor, A.M.; Satyanarayana, M.N.
In the title compound, C15H11BrO4, the dihedral angle between the aromatic rings is 66.77 (8)°. In the crystal, O - H?O, C - H?Br and C - H?O hydrogen bonds link the molecules, forming layers lying parallel to (101). The crystal packing is further consolidated by C - H?? inter-actions and ?-? stacking interactions [centroid-centroid distance = 3.5476 (7) Å]. © Fun et al. 2011.
2-(4-Bromophenyl)-2-oxoethyl 4-methylbenzoate
(2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The title compound, C16H13BrO3, consists of a toluene ring and a bromo-benzene ring which are linked together by a 2-oxopropyl acetate group. The dihedral angle formed between the toluene and bromo-benzene rings is 80.70 (7)°. In the crystal, intermolecular C-H?O hydrogen bonds link the molecules into a three-dimensional network.